CFam Chemical Families Database
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You are searching for "CFAMM00226032" in compound.

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CFAM Mol ID CFAMM00226032
Family CFFID1047 Beta-secretase 1 Inhibitor N~3~-(3-pyridin-3-ylbenzyl)pyridine-2,3-diamine Family
Superfamily CFSID854 Beta-secretase 1 and Serine/threonine-protein kinase B-raf Binder Superfamily
Class CFCAD144 Class 144
External ID CHEMBL1164265 External Source CHEMBL
PubChem CID 46906669 Functional Category Bioactive
Molecule Name Kinome_3695
IUPAC Name 1-[(2-chloro-3,6-difluorophenyl)methyl]-7-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
Synonyms SureCN1601297;AGN-PC-080Q8P;CHEBI:745365;1-[(2-chloro-3,6-difluorophenyl)methyl]-7-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
InChi InChI=1S/C24H25ClF2N6/c1-31-8-10-32(11-9-31)22-5-2-16(13-29-22)17-12-21-24(30-14-17)28-6-7-33(21)15-18-19(26)3-4-20(27)23(18)25/h2-5,12-14H,6-11,15H2,1H3,(H,28,30)
InChiKey DLWMVUDMPMKGEE-UHFFFAOYSA-N
Formula C24H25ClF2N6 Molecular Weight 470.95
Cross Link CHEMBL1164265
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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